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CHEMDIV-ZINC01367456

 MMsINC code: MMs00865462
Type: Neutral
Formula: C12H22N2O2
SMILES:   OC1CCCN(C1)C(=O)NC1CCCCC1
InChI:   InChI=1/C12H22N2O2/c15-11-7-4-8-14(9-11)12(16)13-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=5.61424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -1.31932  SlogP: 1.4854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910869  Sterimol/B1: 2.90507  Sterimol/B2: 3.85675  Sterimol/B3: 4.01882
  Sterimol/B4: 4.20847  Sterimol/L: 13.8468 
 
 Surface and Volume Properties
  Accessible surface: 459.261  Positive charged surface: 367.332  Negative charged surface: 91.9285  Volume: 232.375
  Hydrophobic surface: 377.488  Hydrophilic surface: 81.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.